3-(4-chlorophenyl)-2-[(3-nitrophenyl)methylsulfanyl]quinazolin-4-one

Systemtic Name: 3-(4-chlorophenyl)-2-[(3-nitrophenyl)methylsulfanyl]quinazolin-4-one Openeye Name: 3-(4-chlorophenyl)-2-[(3-nitrophenyl)methylsulfanyl]quinazolin-4-one CAS Name: 3-(4-chlorophenyl)-2-[(3-nitrophenyl)methylthio]-4-quinazolinone IUPAC Name: 3-(4-chlorophenyl)-2-[(3-nitrophenyl)methylsulfanyl]quinazolin-4-one Traditional Name: 3-(4-chlorophenyl)-2-[(3-nitrobenzyl)thio]quinazolin-4-one Formula: C21H14ClN3O3S MolecularWeight: 423.87216

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC3=CC(=CC=C3)[N+](=O)[O-])C4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC3=CC(=CC=C3)[N+](=O)[O-])C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H14ClN3O3S/c22-15-8-10-16(11-9-15)24-20(26)18-6-1-2-7-19(18)23-21(24)29-13-14-4-3-5-17(12-14)25(27)28/h1-12H,13H2